1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine

C17H30N2S — CID 63405309

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)C)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C17H30N2S/c1-12(2)19-17(9-7-8-13(3)10-17)15-18-14(11-20-15)16(4,5)6/h11-13,19H,7-10H2,1-6H3
InChIKeyQKXDLSXGTWFERK-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 63405309) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID63405309
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)C)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C17H30N2S/c1-12(2)19-17(9-7-8-13(3)10-17)15-18-14(11-20-15)16(4,5)6/h11-13,19H,7-10H2,1-6H3
InChIKeyQKXDLSXGTWFERK-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine (CID 63405309) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine is CC1CCCC(NC(C)C)(c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is QKXDLSXGTWFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-12(2)19-17(9-7-8-13(3)10-17)15-18-14(11-20-15)16(4,5)6/h11-13,19H,7-10H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63405309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).